lithium 2-(3-hydroxycyclobutyl)acetate

C6H9LiO3 — CID 170915759

IUPAClithium 2-(3-hydroxycyclobutyl)acetate
SMILESO=C([O-])CC1CC(O)C1.[Li+]
InChIInChI=1S/C6H10O3.Li/c7-5-1-4(2-5)3-6(8)9;/h4-5,7H,1-3H2,(H,8,9);/q;+1/p-1
InChIKeyUIWQLPTWKMDSKV-UHFFFAOYSA-M
MW136.08 g/mol
LogP-4.10
Rot. Bonds2

About lithium 2-(3-hydroxycyclobutyl)acetate

lithium 2-(3-hydroxycyclobutyl)acetate (PubChem CID 170915759) has the molecular formula C6H9LiO3 and a molecular weight of 136.08 g/mol. Its IUPAC name is lithium 2-(3-hydroxycyclobutyl)acetate.

Molecular Properties

Compound Namelithium 2-(3-hydroxycyclobutyl)acetate
PubChem CID170915759
Molecular FormulaC6H9LiO3
Molecular Weight136.08 g/mol
Exact Mass136.07
IUPAC Namelithium 2-(3-hydroxycyclobutyl)acetate
SMILESO=C([O-])CC1CC(O)C1.[Li+]
InChIInChI=1S/C6H10O3.Li/c7-5-1-4(2-5)3-6(8)9;/h4-5,7H,1-3H2,(H,8,9);/q;+1/p-1
InChIKeyUIWQLPTWKMDSKV-UHFFFAOYSA-M
XLogP-4.10
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.08
LogP ≤ 5-4.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of lithium 2-(3-hydroxycyclobutyl)acetate?
The IUPAC name of lithium 2-(3-hydroxycyclobutyl)acetate (CID 170915759) is lithium 2-(3-hydroxycyclobutyl)acetate.
What is the SMILES notation for lithium 2-(3-hydroxycyclobutyl)acetate?
The canonical SMILES for lithium 2-(3-hydroxycyclobutyl)acetate is O=C([O-])CC1CC(O)C1.[Li+].
What is the InChIKey of lithium 2-(3-hydroxycyclobutyl)acetate?
The InChIKey is UIWQLPTWKMDSKV-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H10O3.Li/c7-5-1-4(2-5)3-6(8)9;/h4-5,7H,1-3H2,(H,8,9);/q;+1/p-1.
What are the key properties of lithium 2-(3-hydroxycyclobutyl)acetate?
lithium 2-(3-hydroxycyclobutyl)acetate has a molecular weight of 136.08 g/mol, XLogP of -4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-(3-hydroxycyclobutyl)acetate is sourced from PubChem (CID 170915759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).